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Assay Detail

CHEMBL665260

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii(pc)
23
Total Activities
23
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Pneumocystis carinii
Confidence 9 — Direct single protein target
Curated By Intermediate

Target

Dihydrofolate reductase (CHEMBL1926)
Type SINGLE PROTEIN
Organism Pneumocystis carinii

Publication

Pneumocystis carinii and Toxoplasma gondii dihydrofolate reductase inhibitors and antitumor agents: synthesis and biological activities of 2,4-diamino-5-methyl-6-[(monosubstituted anilino)methyl] pyrido[2,3-d]pyrimidines.
Gangjee A, Adair O, Queener SF.
J Med Chem (1999) 42 : 2447 -2455
PubMed 10395486 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 23 7.22 7.89

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL50514 1 7.89
CHEMBL80066 1 7.64
CHEMBL310880 1 7.54
CHEMBL79922 1 7.52
CHEMBL264386 1 7.46
CHEMBL79347 1 7.43
CHEMBL7492 PIRITREXIM 2.0 1 7.42
CHEMBL119 TRIMETREXATE 4.0 1 7.38
CHEMBL283518 1 7.36
CHEMBL81119 1 7.33
CHEMBL23416 1 7.26
CHEMBL420224 1 7.20
CHEMBL80070 1 7.16
CHEMBL79123 1 7.10
CHEMBL80065 1 7.09
CHEMBL309966 1 7.08
CHEMBL23532 1 7.07
CHEMBL312348 1 7.02
CHEMBL82975 1 7.00
CHEMBL82924 1 6.98
CHEMBL84457 1 6.93
CHEMBL281803 1 6.67
CHEMBL81820 1 6.50

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL50514 IC50 = 13.0 nM 7.89
CHEMBL80066 IC50 = 23.0 nM 7.64
CHEMBL310880 IC50 = 29.0 nM 7.54
CHEMBL79922 IC50 = 30.0 nM 7.52
CHEMBL264386 IC50 = 35.0 nM 7.46
CHEMBL79347 IC50 = 37.0 nM 7.43
CHEMBL7492 PIRITREXIM IC50 = 38.0 nM 7.42
CHEMBL119 TRIMETREXATE IC50 = 42.0 nM 7.38
CHEMBL283518 IC50 = 44.0 nM 7.36
CHEMBL81119 IC50 = 47.0 nM 7.33
CHEMBL23416 IC50 = 55.4 nM 7.26
CHEMBL420224 IC50 = 63.0 nM 7.20
CHEMBL80070 IC50 = 68.9 nM 7.16
CHEMBL79123 IC50 = 80.0 nM 7.10
CHEMBL80065 IC50 = 80.8 nM 7.09
CHEMBL309966 IC50 = 84.0 nM 7.08
CHEMBL23532 IC50 = 86.0 nM 7.07
CHEMBL312348 IC50 = 95.4 nM 7.02
CHEMBL82975 IC50 = 100.0 nM 7.00
CHEMBL82924 IC50 = 104.5 nM 6.98
CHEMBL84457 IC50 = 117.0 nM 6.93
CHEMBL281803 IC50 = 216.0 nM 6.67
CHEMBL81820 IC50 = 320.0 nM 6.50